CMake file for xdrf library

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 631ddb6..329c3ae 100644 (file)
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -3,7 +3,7 @@
 #
 cmake_minimum_required(VERSION 2.8)
 
-project(unrespack C Fortran)
+project(unrespack Fortran C)
 set(UNRES_MAJOR 3)
 set(UNRES_MINOR 1)
 set(UNRES_PATCH 0)
@@ -21,7 +21,7 @@ endif (NOT CMAKE_BUILD_TYPE)
 
 # Set the force field
 if (NOT UNRES_FF)
-  set(UNRES_FF "GAB" "E0LL2Y" CACHE STRING "Choose the force field, options are: GAB E0LL2Y " )
+  set(UNRES_FF "GAB" "E0LL2Y" CACHE STRING "Choose the force field, options are: GAB E0LL2Y" )
   #message ( "Please set the Force field (UNRES_FF) to : GAB, 0ELE" )
 endif (NOT UNRES_FF)
 

diff --git a/source/unres/src_MD/CMakeLists.txt b/source/unres/src_MD/CMakeLists.txt
index 147ca4c..4e763ba 100644 (file)
--- a/source/unres/src_MD/CMakeLists.txt
+++ b/source/unres/src_MD/CMakeLists.txt
@@ -4,6 +4,9 @@
 
 enable_language (Fortran)
 
+# xdrf library 
+add_subdirectory(xdrf)
+
 # Set sources
 set(UNRES_MD_SRC0 unres.F arcos.f cartprint.f chainbuild.F convert.f 
        initialize_p.F matmult.f readrtns.F parmread.F gen_rand_conf.F
@@ -36,14 +39,18 @@ set_property(SOURCE ${UNRES_MD_SRC3} PROPERTY CMAKE_Fortran_FLAGS ${FFLAGS3} )
 
 if(UNRES_FF STREQUAL "GAB")
 
-  set(CPPFLAGS -DPROCOR -DLINUX -DPGI -DUNRES -DISNAN -DMP -DMPI -DSPLITELE -DLANGO -DCRYST_BOND
-   -DCRYST_THETA -DCRYST_SC )
+  set(CMAKE_CXX_FLAGS -DPROCOR -DLINUX -DPGI -DUNRES -DISNAN -DMP -DMPI -DSPLITELE -DLANGO
+  -DCRYST_BOND -DCRYST_THETA -DCRYST_SC )
+  set(UNRES_BIN unres_ifort_MPICH_GAB.exe )
 
 else(UNRES_FF strequal "E0LL2Y")
 
-  set(CPPFLAGS -DPROCOR -DLINUX -DPGI -DUNRES -DISNAN -DMP -DMPI -DSPLITELE -DLANG0 )
+  set(CMAKE_CXX__FLAGS -DPROCOR -DLINUX -DPGI -DUNRES -DISNAN -DMP -DMPI -DSPLITELE -DLANG0 )
 
 endif()
 
 
-add_executable(unres ${UNRES_MD_SRC0} ${UNRES_MD_SRC3} ) 
+add_executable(compinfo compinfo.c)
+add_custom_command(OUTPUT cinfo.f COMMAND ${CMAKE_CURRENT_BINARY_DIR}/compinfo | true )
+add_executable(${UNRES_BIN} ${UNRES_MD_SRC0} ${UNRES_MD_SRC3} cinfo.f )
+ 

diff --git a/source/unres/src_MD/xdrf/CMakeLists.txt b/source/unres/src_MD/xdrf/CMakeLists.txt
new file mode 100644 (file)
index 0000000..a715204
--- /dev/null
+++ b/source/unres/src_MD/xdrf/CMakeLists.txt
@@ -0,0 +1,19 @@
+#
+# CMake project file for UNRESPACK
+#
+
+# m4 macro processor 
+add_custom_command(
+   OUTPUT ${CMAKE_CURRENT_BINARY_DIR}/libxdrf.c
+   COMMAND m4
+   ARGS ${CMAKE_CURRENT_SOURCE_DIR}/underscore.m4 ${CMAKE_CURRENT_SOURCE_DIR}/libxdrf.m4 > ${CMAKE_CURRENT_BINARY_DIR}/libxdrf.c
+   VERBATIM
+)
+
+# add headers from current dir
+include_directories(${CMAKE_CURRENT_SOURCE_DIR})
+
+# compile the libxdrf library
+add_library(xdrf STATIC libxdrf.c ftocstr.c)
+
+